N-(2-thiomorpholin-4-ylethyl)heptan-2-amine

C13H28N2S — CID 62573803

IUPACN-(2-thiomorpholin-4-ylethyl)heptan-2-amine
SMILESCCCCCC(C)NCCN1CCSCC1
InChIInChI=1S/C13H28N2S/c1-3-4-5-6-13(2)14-7-8-15-9-11-16-12-10-15/h13-14H,3-12H2,1-2H3
InChIKeyUQMVAFCGLHZTBU-UHFFFAOYSA-N
MW244.45 g/mol
LogP2.59
Rot. Bonds8

About N-(2-thiomorpholin-4-ylethyl)heptan-2-amine

N-(2-thiomorpholin-4-ylethyl)heptan-2-amine (PubChem CID 62573803) has the molecular formula C13H28N2S and a molecular weight of 244.45 g/mol. Its IUPAC name is N-(2-thiomorpholin-4-ylethyl)heptan-2-amine.

Molecular Properties

Compound NameN-(2-thiomorpholin-4-ylethyl)heptan-2-amine
PubChem CID62573803
Molecular FormulaC13H28N2S
Molecular Weight244.45 g/mol
Exact Mass244.20
IUPAC NameN-(2-thiomorpholin-4-ylethyl)heptan-2-amine
SMILESCCCCCC(C)NCCN1CCSCC1
InChIInChI=1S/C13H28N2S/c1-3-4-5-6-13(2)14-7-8-15-9-11-16-12-10-15/h13-14H,3-12H2,1-2H3
InChIKeyUQMVAFCGLHZTBU-UHFFFAOYSA-N
XLogP2.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-thiomorpholin-4-ylethyl)heptan-2-amine?
The IUPAC name of N-(2-thiomorpholin-4-ylethyl)heptan-2-amine (CID 62573803) is N-(2-thiomorpholin-4-ylethyl)heptan-2-amine.
What is the SMILES notation for N-(2-thiomorpholin-4-ylethyl)heptan-2-amine?
The canonical SMILES for N-(2-thiomorpholin-4-ylethyl)heptan-2-amine is CCCCCC(C)NCCN1CCSCC1.
What is the InChIKey of N-(2-thiomorpholin-4-ylethyl)heptan-2-amine?
The InChIKey is UQMVAFCGLHZTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2S/c1-3-4-5-6-13(2)14-7-8-15-9-11-16-12-10-15/h13-14H,3-12H2,1-2H3.
What are the key properties of N-(2-thiomorpholin-4-ylethyl)heptan-2-amine?
N-(2-thiomorpholin-4-ylethyl)heptan-2-amine has a molecular weight of 244.45 g/mol, XLogP of 2.59, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-thiomorpholin-4-ylethyl)heptan-2-amine is sourced from PubChem (CID 62573803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).